2,7,7-trimethyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-1,4,4a,6-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2,7,7-trimethyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Openeye Name: 2,7,7-trimethyl-5-oxo-4-pyridin-1-ium-3-yl-1,4,4a,6-tetrahydroquinoline-3-carbonitrile CAS Name: 2,7,7-trimethyl-5-oxo-4-(3-pyridin-1-iumyl)-1,4,4a,6-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2,7,7-trimethyl-5-oxo-4-pyridin-1-ium-3-yl-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Traditional Name: 5-keto-2,7,7-trimethyl-4-pyridin-1-ium-3-yl-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Formula: C18H20N3O+ MolecularWeight: 294.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=C[NH+]=CC=C3)C#N

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=C[NH+]=CC=C3)C#N

InChI

InChI=1S/C18H19N3O/c1-11-13(9-19)16(12-5-4-6-20-10-12)17-14(21-11)7-18(2,3)8-15(17)22/h4-7,10,16-17,21H,8H2,1-3H3/p+1